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1,3-二苄基-1H-苯并咪唑-2(3H)-酮

1,3-Dibenzyl-1H-benzimidazol-2(3H)-one.

作者信息

Kandri Rodi Youssef, Ouazzani Chahdi Fouad, Essassi El Mokhtar, Luis Santiago V, Bolte Michael, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3234. doi: 10.1107/S1600536811046071. Epub 2011 Nov 9.

DOI:10.1107/S1600536811046071
PMID:22199747
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238894/
Abstract

In the mol-ecular structure of the title compound, C(21)H(18)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0121 (9) Å. The O atom and adjacent C atom are located in Wyckoff position 4e on a twofold axis (0, y, 1/4). The two benzyl groups are almost perpendicular to the benzimidazole plane, but point in opposite directions. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 81.95 (5)°, whereas that between the two benzyl groups is 60.96 (7)°.

摘要

在标题化合物C(21)H(18)N(2)O的分子结构中，稠环体系基本呈平面状，与平均平面的最大偏差为0.0121 (9) Å。O原子和相邻的C原子位于二重轴(0, y, 1/4)上的Wyckoff位置4e。两个苄基几乎垂直于苯并咪唑平面，但方向相反。苯并咪唑平均平面与苯环之间的二面角为81.95 (5)°，而两个苄基之间的二面角为60.96 (7)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca70/3238894/d49ded91516e/e-67-o3234-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca70/3238894/d49ded91516e/e-67-o3234-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca70/3238894/d49ded91516e/e-67-o3234-fig1.jpg

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